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SMILES: COc1ccccc1\C=C\C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1NC(=S)Nc1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=LBLSFVDUFBHWDC-QHDHWTAKSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50248708   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50248708 (CHEMBL4090618) Show SMILES COc1ccccc1\C=C\C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1NC(=S)Nc1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C23H28N4O8S2/c1-34-16-5-3-2-4-13(16)6-11-18(29)26-19-21(31)20(30)17(12-28)35-22(19)27-23(36)25-14-7-9-15(10-8-14)37(24,32)33/h2-11,17,19-22,28,30-31H,12H2,1H3,(H,26,29)(H2,24,32,33)(H2,25,27,36)/b11-6+/t17-,19-,20-,21-,22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 using 4-nitrophenylacetate as substrate pretreated for 15 mins prior to test by spectrophotometr...				Eur J Med Chem 132: 1-10 (2017) Article DOI: 10.1016/j.ejmech.2017.03.023 BindingDB Entry DOI: 10.7270/Q2WS8WNX
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50248708 (CHEMBL4090618) Show SMILES COc1ccccc1\C=C\C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1NC(=S)Nc1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C23H28N4O8S2/c1-34-16-5-3-2-4-13(16)6-11-18(29)26-19-21(31)20(30)17(12-28)35-22(19)27-23(36)25-14-7-9-15(10-8-14)37(24,32)33/h2-11,17,19-22,28,30-31H,12H2,1H3,(H,26,29)(H2,24,32,33)(H2,25,27,36)/b11-6+/t17-,19-,20-,21-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Binding affinity towards HSV-1 thymidine kinase				Eur J Med Chem 132: 1-10 (2017) Article DOI: 10.1016/j.ejmech.2017.03.023 BindingDB Entry DOI: 10.7270/Q2WS8WNX
					More data for this Ligand-Target Pair